Benzoic acid, 5-amino-2-methyl-, methyl ester

CAS Number:18595-12-5

Product Number:AG003RX0(AGN-PC-003IPJ)

MDL No:MFCD08752568

Molecular Formula:C9H11NO2

Molecular Weight:165.1891

Properties

MP:39-40°C

BP:285.4°C at 760 mmHg

Storage:Inert atmosphere;2-8℃;

Form:Solid

Computed Properties

Molecular Weight:165.192g/mol

XLogP3:2.1

Hydrogen Bond Donor Count:1

Hydrogen Bond Acceptor Count:3

Rotatable Bond Count:2

Exact Mass:165.079g/mol

Monoisotopic Mass:165.079g/mol

Topological Polar Surface Area:52.3A^2

Heavy Atom Count:12

Formal Charge:0

Complexity:170

Isotope Atom Count:0

Defined Atom Stereocenter Count:0

Undefined Atom Stereocenter Count:0

Defined Bond Stereocenter Count:0

Undefined Bond Stereocenter Count:0

Covalently-Bonded Unit Count:1

Compound Is Canonicalized:Yes

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